UCSF

ZINC36190736

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 8.8 -34.44 1 6 1 66 285.755 3
Mid Mid (pH 6-8) 2.64 6.43 -5.42 0 6 0 65 284.747 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )